Crystallography Open Database

Information card for entry 7711715

Preview

Coordinates	7711715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41.8 F7 N7 O11.6 Yb
Calculated formula	C35 H41.8 F7 N7 O11.6 Yb
Title of publication	Improved emission of Yb(III) ions in triazacyclononane-based macrocyclic ligands compared to cyclen-based ones.
Authors of publication	Kiraev, Salauat R.; Mathieu, Emilie; Kovacs, Daniel; Wells, Jordann A. L.; Tomar, Monika; Andres, Julien; Borbas, K. Eszter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	43
Pages of publication	16596 - 16604
a	13.02 ± 0.0014 Å
b	22.477 ± 0.002 Å
c	14.9599 ± 0.0016 Å
α	90°
β	113.294 ± 0.002°
γ	90°
Cell volume	4021.2 ± 0.7 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279125 (current)	2022-11-09	cif/ Adding structures of 7711715, 7711716 via cif-deposit CGI script.	7711715.cif